GPCRdb

CHEMBL4780509

Agent/drug
Bioactivity

CHEMBL4780509

SMILES	COc1ccc2cnnc(CCNC(=O)C3CC3)c2c1
InChIKey	JDWBNGMESBOMNB-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	1
Rotatable bonds	5
Molecular weight (Da)	271.1

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₁	MTR1A	Human	Melatonin	A	pKi	5.52	5.52	5.52	ChEMBL
MT₂	MTR1B	Human	Melatonin	A	pKi	5.86	5.86	5.86	ChEMBL

Showing 1 to 2 of 2 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

MT₂	MTR1B	Human	Melatonin	A	pEC50	5.90	5.90	5.90	ChEMBL

Showing 1 to 1 of 1 entry

CHEMBL4780509

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV 0

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.